Continuum Solvation Models in Chemical Physics - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Continuum Solvation Models in Chemical Physics write by Benedetta Mennucci. This book was released on 2008-02-28. Continuum Solvation Models in Chemical Physics available in PDF, EPUB and Kindle. This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Devoted to solvation models in which reviews of the theory, the computational implementation Solvation continuum models are treated using the different points of view from experts belonging to different research fields Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments Four-colour representation of the computational modeling throughout.
The Chemical Physics of Solvation
The Chemical Physics of Solvation - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook The Chemical Physics of Solvation write by Revaz R. Dogonadze. This book was released on 1985. The Chemical Physics of Solvation available in PDF, EPUB and Kindle. The importance of solvation as a concept which covers quite generally the interactions between a molecular solute particle and a macroscopic body of surrounding solvent is well recognized. Solvation plays a major role in the distribution of elements in the geo- and hydrosphere, and most chemical and biological processes involve solvated reactants and products, the electronic and molecular structure of which are strongly determined by solvation. This three-volume monograph has been written collectively by 50 authors from 14 countries who are specialists in different areas of solvation science. Part A deals with the theory of solvation; Part B is entirely devoted to spectroscopy of solvation; and Part C covers solvation phenomena in specific physical, chemical and biological systems. The volumes will be an invaluable reference source for physicists, physical chemists and biophysicists undertaking investigations into the diversified and fascinating areas of the physics and chemical physics of solvation at postgraduate and professional research levels.
Molecular Theory of Solvation
Molecular Theory of Solvation - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Theory of Solvation write by F. Hirata. This book was released on 2006-04-11. Molecular Theory of Solvation available in PDF, EPUB and Kindle. Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.
Molecular Response Functions for the Polarizable Continuum Model
Molecular Response Functions for the Polarizable Continuum Model - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Response Functions for the Polarizable Continuum Model write by Roberto Cammi. This book was released on 2013-10-10. Molecular Response Functions for the Polarizable Continuum Model available in PDF, EPUB and Kindle. This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM). PCM is a solvation model for a Quantum Mechanical molecular system in which the solvent is represented as a continuum distribution of matter. Particular attention is devoted to the description of the basic features of the PCM model, and to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules.
Solvation Effects on Molecules and Biomolecules
Solvation Effects on Molecules and Biomolecules - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Solvation Effects on Molecules and Biomolecules write by Sylvio Canuto. This book was released on 2010-07-03. Solvation Effects on Molecules and Biomolecules available in PDF, EPUB and Kindle. This volume is an interdisciplinary treatise on the theoretical approach to solvation problems. It describes the essential details of the theoretical methods and places them into the context of modern applications, and hence is of broad interest to theoreticians and experimentalists. The assembly of these modern methods and applications into one volume is a unique contribution to date and gives a broad and ample description of the field in its present stage of development.
